IBS-ZINC02077733 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 83 0 0 1 0 0 0 0 0999 V2000 1.1900 0.7020 -4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 0.9460 -3.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 0.0100 -2.3080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7420 -1.0220 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 0.3610 -1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 1.7850 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6420 2.1010 -0.8200 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9440 1.3450 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 2.1040 -1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 3.4770 -0.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1820 4.2190 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 3.8990 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 4.6410 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 4.6400 1.9450 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0430 5.5420 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 3.4190 1.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3600 2.1260 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 2.1510 3.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 3.3060 4.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8100 3.1860 3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 4.6080 3.4410 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2280 4.7530 3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 5.7480 4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 5.6790 5.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 4.5740 6.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 3.2850 5.5540 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3290 2.2520 6.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 2.2520 7.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 3.6180 8.3480 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4090 3.8560 8.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 4.6240 7.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 3.5860 9.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 2.8440 5.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 3.5110 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 0.1700 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 1.2010 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -0.1820 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -0.7670 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.9930 -4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -0.3560 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 1.2940 -5.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 1.9810 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 0.7520 -3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -0.3370 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 0.2960 -2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 2.4900 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 1.8700 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 2.8610 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 2.3290 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.1240 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 3.0180 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 4.5630 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 4.1160 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 5.6640 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 1.2760 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 2.0230 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 2.2980 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 1.2080 3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 5.6500 3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 6.7050 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 6.5890 6.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 1.2630 5.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 2.5080 6.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 2.0440 7.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.4830 8.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 5.6060 8.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 4.4300 8.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 4.4220 10.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 1.8490 5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.8210 6.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 3.5470 5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 2.5550 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 3.7530 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 4.2900 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 0.4850 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -1.2130 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -0.0680 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -0.5160 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -0.6530 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -1.7980 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 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